#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-17
#PROJECT
PR:PROJECT_TITLE    	Murine Bile Acid Profiles during R20291 Infection
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Targeted bile acid metabolomics
PR:INSTITUTE        	North Carolina State University
PR:DEPARTMENT       	Population Health and Pathobiology
PR:LABORATORY       	Theriot Lab
PR:LAST_NAME        	Theriot
PR:FIRST_NAME       	Casey
PR:ADDRESS          	Raleigh, NC
PR:EMAIL            	caseythe@umich.edu
PR:PHONE            	734-763-4133
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	Murine bile acid profiles during CDI R20291 infection
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	We are interested in understanding the bile acid profiles in cecal content from mice challeneged with R20291 C. difficle spores. We are also interested in the bile acid profiles of mice that are administered Ursodiol (UDCA) or vehcile (corn oil) during C. difficile infection. In vitro Ursodiol (UDCA) has significant impacts on germination and growth of C. difficile R20291.
ST:INSTITUTE        	University of Michigan
ST:DEPARTMENT       	Biomedical Research Core Facilities
ST:LABORATORY       	Metabolomics core
ST:LAST_NAME        	Kachman
ST:FIRST_NAME       	Maureen
ST:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL            	mkachman@med.umich.edu
ST:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	08/25/2016 03:51:46 PM
ST:NUM_GROUPS       	19
ST:TOTAL_SUBJECTS   	89
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0015856	S00024745	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015857	S00024746	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015858	S00024747	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015859	S00024748	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015860	S00024749	SEX:F | TIMEPOINT:Day 0 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015861	S00024750	SEX:M | TIMEPOINT:Day 0 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015862	S00024751	SEX:F | TIMEPOINT:Day 0 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015863	S00024752	SEX:F | TIMEPOINT:Day 0 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015864	S00024753	SEX:M | TIMEPOINT:Day 0 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015865	S00024754	SEX:F | TIMEPOINT:Day 0 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015866	S00024755	SEX:M | TIMEPOINT:Day 0 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015867	S00024756	SEX:F | TIMEPOINT:Day 2 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015868	S00024757	SEX:M | TIMEPOINT:Day 2 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015869	S00024758	SEX:F | TIMEPOINT:Day 2 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015870	S00024759	SEX:M | TIMEPOINT:Day 2 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015871	S00024760	SEX:F | TIMEPOINT:Day 2 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015872	S00024761	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015873	S00024762	SEX:F | TIMEPOINT:Day 2 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015874	S00024763	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015875	S00024764	SEX:F | TIMEPOINT:Day 2 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015876	S00024765	SEX:M | TIMEPOINT:Day 2 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015877	S00024766	SEX:F | TIMEPOINT:Day 2 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015878	S00024767	SEX:M | TIMEPOINT:Day 2 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015879	S00024768	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015880	S00024769	SEX:F | TIMEPOINT:Day 4 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015881	S00024770	SEX:M | TIMEPOINT:Day 4 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015882	S00024771	SEX:F | TIMEPOINT:Day 4 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015883	S00024772	SEX:M | TIMEPOINT:Day 4 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015884	S00024773	SEX:F | TIMEPOINT:Day 4 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015885	S00024774	SEX:M | TIMEPOINT:Day 4 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015886	S00024775	SEX:F | TIMEPOINT:Day 4 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015887	S00024776	SEX:M | TIMEPOINT:Day 4 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015888	S00024777	SEX:F | TIMEPOINT:Day 4 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015889	S00024778	SEX:M | TIMEPOINT:Day 4 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015890	S00024779	SEX:F | TIMEPOINT:Day 4 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015891	S00024780	SEX:M | TIMEPOINT:Day 4 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015892	S00024781	SEX:F | TIMEPOINT:Day 7 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015893	S00024782	SEX:M | TIMEPOINT:Day 7 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015894	S00024783	SEX:F | TIMEPOINT:Day 7 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015895	S00024784	SEX:M | TIMEPOINT:Day 7 | TREATMENT:no treatment	
SUBJECT_SAMPLE_FACTORS            	SU0015896	S00024785	SEX:F | TIMEPOINT:Day 7 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015897	S00024786	SEX:F | TIMEPOINT:Day 7 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015898	S00024787	SEX:M | TIMEPOINT:Day 7 | TREATMENT:vehicle	
SUBJECT_SAMPLE_FACTORS            	SU0015899	S00024788	SEX:F | TIMEPOINT:Day 7 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015900	S00024789	SEX:M | TIMEPOINT:Day 7 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015901	S00024790	SEX:F | TIMEPOINT:Day 7 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015902	S00024791	SEX:M | TIMEPOINT:Day 7 | TREATMENT:UDCA	
SUBJECT_SAMPLE_FACTORS            	SU0015903	S00024792	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015904	S00024793	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015905	S00024794	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015906	S00024795	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015907	S00024796	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015908	S00024797	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015909	S00024798	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015910	S00024799	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015911	S00024800	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015912	S00024801	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015913	S00024802	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015914	S00024803	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015915	S00024804	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015916	S00024805	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015917	S00024806	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015918	S00024807	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015919	S00024808	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015920	S00024809	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015921	S00024810	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015922	S00024811	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015923	S00024812	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015924	S00024813	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015925	S00024814	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015926	S00024815	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015927	S00024816	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015928	S00024817	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015929	S00024818	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015930	S00024819	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015931	S00024820	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015932	S00024821	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015933	S00024822	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015934	S00024823	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015935	S00024824	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015936	S00024825	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	
SUBJECT_SAMPLE_FACTORS            	SU0015937	S00024826	SEX:F | TIMEPOINT:NA | TREATMENT:pre antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015938	S00024827	SEX:F | TIMEPOINT:NA | TREATMENT:pre antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015939	S00024828	SEX:M | TIMEPOINT:NA | TREATMENT:pre antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015940	S00024829	SEX:M | TIMEPOINT:NA | TREATMENT:pre antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015941	S00024830	SEX:F | TIMEPOINT:NA | TREATMENT:post antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015942	S00024831	SEX:F | TIMEPOINT:NA | TREATMENT:post antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015943	S00024832	SEX:M | TIMEPOINT:NA | TREATMENT:post antibiotics	
SUBJECT_SAMPLE_FACTORS            	SU0015944	S00024833	SEX:M | TIMEPOINT:NA | TREATMENT:post antibiotics	
#SUBJECT
SU:SUBJECT_TYPE                   	MOUSE
SU:SUBJECT_SPECIES                	Mus
SU:TAXONOMY_ID                    	10088
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A014 - Bile Acids.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	C18
CH:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
CH:COLUMN_NAME                    	ACQUITY UPLC BEH C18, 130A, 1.7mkm, 2.1mm X 50mm (Waters Corporation)
CH:METHODS_FILENAME               	2014-07-30-Bile_acid-full-BEH-C18-I.m
#ANALYSIS
AN:ANALYSIS_TYPE                  	MRM
AN:INSTRUMENT_NAME                	6490A QQQ LC/MS (Agilent)
AN:ANALYSIS_PROTOCOL_FILE         	A014 - Bile Acids.pdf
AN:ACQUISITION_PARAMETERS_FILE    	2014-07-30-Bile_acid-full-BEH-C18-I.m
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QQQ
MS:MS_TYPE                        	ESI
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ug/100 mg
MS_METABOLITE_DATA_START
Sample	S00024745	S00024746	S00024747	S00024748	S00024749	S00024750	S00024751	S00024752	S00024753	S00024754	S00024755	S00024756	S00024757	S00024758	S00024759	S00024760	S00024761	S00024762	S00024763	S00024764	S00024765	S00024766	S00024767	S00024768	S00024769	S00024770	S00024771	S00024772	S00024773	S00024774	S00024775	S00024776	S00024777	S00024778	S00024779	S00024780	S00024781	S00024782	S00024783	S00024784	S00024785	S00024786	S00024787	S00024788	S00024789	S00024790	S00024791	S00024792	S00024793	S00024794	S00024795	S00024796	S00024797	S00024798	S00024799	S00024800	S00024801	S00024802	S00024803	S00024804	S00024805	S00024806	S00024807	S00024808	S00024809	S00024810	S00024811	S00024812	S00024813	S00024814	S00024815	S00024816	S00024817	S00024818	S00024819	S00024820	S00024821	S00024822	S00024823	S00024824	S00024825	S00024826	S00024827	S00024828	S00024829	S00024830	S00024831	S00024832	S00024833
Factors	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 0 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 0 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 0 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 0 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 0 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 0 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 0 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 0 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 2 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 2 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 2 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 2 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 2 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 2 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 2 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 2 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 2 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 2 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 2 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 4 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 4 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 4 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 4 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 4 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 4 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 4 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 4 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 4 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 4 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 4 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 4 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 7 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 7 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 7 | TREATMENT:no treatment	SEX:M | TIMEPOINT:Day 7 | TREATMENT:no treatment	SEX:F | TIMEPOINT:Day 7 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 7 | TREATMENT:vehicle	SEX:M | TIMEPOINT:Day 7 | TREATMENT:vehicle	SEX:F | TIMEPOINT:Day 7 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 7 | TREATMENT:UDCA	SEX:F | TIMEPOINT:Day 7 | TREATMENT:UDCA	SEX:M | TIMEPOINT:Day 7 | TREATMENT:UDCA	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	SEX:NA | TIMEPOINT:Day 0 | TREATMENT:day0 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 no challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 2 | TREATMENT:day2 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 4 | TREATMENT:day4 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 7 | TREATMENT:day7 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:NA | TIMEPOINT:Day 14 | TREATMENT:day14 post challenge	SEX:F | TIMEPOINT:NA | TREATMENT:pre antibiotics	SEX:F | TIMEPOINT:NA | TREATMENT:pre antibiotics	SEX:M | TIMEPOINT:NA | TREATMENT:pre antibiotics	SEX:M | TIMEPOINT:NA | TREATMENT:pre antibiotics	SEX:F | TIMEPOINT:NA | TREATMENT:post antibiotics	SEX:F | TIMEPOINT:NA | TREATMENT:post antibiotics	SEX:M | TIMEPOINT:NA | TREATMENT:post antibiotics	SEX:M | TIMEPOINT:NA | TREATMENT:post antibiotics
CHENODEOXYCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	.010592196	0	0	0	0	0	0	0	0	0	0	0	0	0	.500520477	0	.284859991	.561745579	.551995395	0	.049736656	1.927193218	.385362853	.948211192	0	.181331165	1.141786154	.029745346	2.816244009	0	.249169253	.212565159	.687432022	.237249169	2.003443514	.463944825	.515732087	0	0	0	0	0	0	0	0	.037631435	.013467168	0	0	0	.020603847	0	.008387997	.271273581	.340753146	.045439821	.518093748	.332931804	.402967258	.054640193	0	.146765927	.364168261	.58990464	.555192087	1.314740215	0	.574034096	0	1.143017649	.3916456	0	0	0	0	0	0	0	0
GLYCOCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.01577819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
TAURO-ALPHA-MURICHOLIC ACID	.169596529	.392782306	.519774069	.167266095	4.081894182	0	1.432877509	.524871346	0	.489490595	0	0	0	0	0	0	0	0	895.1458751	.676645074	0	.782761839	.430778406	0	0	0	.05033157	0	0	.188445316	0	0	0	0	0	0	0	2.034809413	0	0	0	0	1.776869843	0	0	0	0	3.864155108	4.092882885	.939348604	1.550249345	0	0	0	0	0	0	0	0	0	0	.121947472	0	0	0	0	0	0	0	0	0	.164873549	0	0	0	1.201632907	.020505589	0	0	.275252904	0	6.361624056	2.324995888	0	0	.479703718	.364450781	2.762744615	.246012792
TAUROHYOCHOLATE	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.107666478	0	.160635862	.104526838	.102361045	.087526583	0	0	0	0	0	.170417564	1.352870272	0	.87384432	0	0	0	0	.121024417	0	0	.06146352	0	0	.096537683	0	0	0	.091085581	.13819921	0	0	.080290512	0	0	.086639042	.098369572	.101366032	0	0	0	0
GLYCOURSODEOXYCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
GLYCOCHENODEOXYCHOLIC ACID	.000946078	.000685594	.004825051	.00174207	.00364353	.00100326	.000467171	.002132234	.00159928	0	0	.001115575	.001177954	.001402463	0	.003063789	.001412834	.002227578	.006194339	.001224231	.001734143	.001989821	.001458035	.001618721	.004498223	.00258367	.001212894	.001773904	.008717556	0	.003317068	.007723937	.002297963	0	.011927516	.003124033	.003807624	.001714809	.006432555	.002948715	.001045271	.002031092	.002063575	.004728506	0	.002209315	.002629756	.003003131	.001362287	.001955936	.003331859	.0021386	.002203523	.001161316	.003488068	.003017093	0	.002781135	.002589363	.002314799	.002141807	.000998426	0	.003808329	.003484285	.003020472	0	.002753883	.00228574	.002650884	.002059043	.003383226	0	.003407351	0	.003209767	.004845437	.001953266	.003300851	.00211704	.002345401	.001398602	.001099125	.0030517	.001478863	.001458543	.001315356	.001413702	.001475882
AM022340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.11832758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
TAURO-BETA-MURICHOLIC ACID	8.00451494	12.95728338	15.1582613	3.745956865	108.0197585	13.16634033	31.28045866	12.32464259	19.02203847	21.37991886	9.648263593	174.0001573	123.2779679	115.620568	11.93295809	413.9711731	3.647444786	1027.087315	6338.000505	24.00929831	83.95049289	38.40853231	15.24507358	7.36810557	454.190806	347.896844	7.643274504	53.99945236	233.0152553	18.73615807	9.908136985	178.7786074	330.9732169	39.70357894	4.52860151	15.8510942	139.6457785	293.7724661	1651.817788	7.202347749	18.10100874	40.09842728	141.9104815	183.2944269	515.6090438	475.2753646	148.4239019	57.94435282	168.7192271	25.46579837	48.49008999	8.44920018	36.03446392	8.14103706	120.8364156	342.3683617	65.15874605	344.1086478	780.1075018	544.1364241	613.6627012	2.286166217	34.18198084	18.91083849	4.736096279	216.3105884	7.587539637	81.05443835	5.592188191	46.59153998	73.5617775	11.13304382	90.24904371	103.2403103	20.36836811	11.62865703	4.237999619	121.8412805	48.97785082	20.20863643	17.44468472	295.6604332	73.58453896	3.8530045	3.395707144	8.249455493	6.157699875	50.22435114	5.562472426
CHOLIC ACID	.005826382	.003326309	.011133898	.003726536	.007449952	.004180456	.00708469	.007293903	.007158299	.003994752	.003010982	.066638195	.90149988	4.143353502	.098461742	3.580560244	.424843271	6.350619785	11.11683948	.013307425	.874499127	.836068113	.692334733	.547787022	53.69032154	.435239377	10.1974975	28.20199513	71.33608179	1.563706078	9.07869026	78.12245972	35.89099733	30.38017125	.871442903	9.274472642	27.64360536	1.932982538	35.06796297	1.822108289	5.273269241	3.079924828	21.29916534	7.983280843	9.274543002	12.9631538	17.05882042	.017006671	.013321286	.085039529	.013982289	.865464397	8.841017478	6.684684316	1.720074245	3.675362126	.393770374	4.322636329	3.655600073	2.115274297	9.151036349	.036181503	.203820821	7.166874561	7.61048616	6.292726406	9.728225918	6.832115466	6.520840458	1.796722445	2.112655412	2.889103763	6.59689353	14.02794025	6.096349022	12.81744691	.194865909	16.50534398	1.543367743	18.58660663	4.915537747	.801465081	1.061833055	.086823374	.249340415	.004600608	.002713491	.004973575	.0050443
DEOXYCHOLIC ACID	.152298538	.109749351	.215419478	0	.304486897	.182826184	.092186805	0	.112201915	.005285876	.062270334	.176789472	.046755441	1.008211956	.521468455	.383696122	.432443213	0	.521300059	.233627582	.134152281	.470910977	1.221425483	.460739296	.717186805	.460113849	.178016314	.307012602	.169633676	.708121838	.184234473	.325202106	1.701928423	1.191608529	.679523003	.076798405	.203123531	.434276765	23.69545157	1.001725926	.187603645	.56925603	.095518634	.875709005	30.70444658	.403551071	.344121671	.240251828	.456027385	1.239511318	.62273666	16.16023089	69.43401785	7.792247779	.626337766	0	.049575993	.050359556	0	0	.274615338	0	.057108887	.068727902	.126723921	.380459256	.319824667	.343997013	0	0	3.503448721	1.489343454	.163915695	.371218992	.426785927	.350385447	5.703752136	.361181527	15.36375773	.091050391	.229856167	18.89108134	16.93350853	1.914422246	7.130862341	.120509695	.108049366	.192653398	0
TAURODEOXYCHOLATE	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.066745051	.054518445	0	0	0	0	.104548089	0	0	0	0	0	.08112082	0	0	0	0	0	0	.207953437	.406040451	.094160176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.089745919	0	0	.078769371	0	.13594238	0	.083612928	0	0	.096437684	.077303903	.111645697	.091161556	0	0	0	0
GLYCODEOXYCHOLATE	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.005701213	0	0	0	0	0	0	0	.005136019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.000143079	0	0	0	.002373557	0	0	.001291714	.001078068	0	.000703701	0	0	0	0
URSODEOXYCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	0	0	0	.107801285	0	0	0	.074863486	.089936816	0	.077884461	0	0	0	.772548962	0	.389838964	.336234403	1.39923664	0	.172226033	1.792682338	3.099483186	2.956705777	0	1.764520914	.788730118	0	2.62728901	.153930613	.123880404	.225673835	.8361935	.425812187	6.879918835	.802559434	1.38866464	0	0	0	0	.137816901	.752919331	.129152661	0	.071162953	.011794855	.076949903	0	0	.067896646	0	0	.245515051	.242414902	.087853756	.414296019	.183454877	.432367147	.052624098	.211797033	.150154638	.622786424	.267518775	.840504671	1.827275653	.501677141	.546056558	.960132705	1.626286871	.37106676	1.460234403	.624969857	0	0	0	0	0	0
TAUROCHENODEOXYCHOLIC ACID	.029475498	.025133604	.063344752	.026287128	.121189858	.031938626	.065853107	.041816193	.037845049	.04988453	.026620609	.050905862	.053219532	.059791392	.041081391	.119321548	.027718454	.317724653	2.416739696	.048224077	.039022415	.035088294	.047753663	.022258094	.048306329	.053329393	.018707364	.021823573	.034556009	0	.025327933	.026989949	.032326435	0	.19129044	.040574553	.034725171	.14430021	0	.039787177	.024280524	.048281762	.028057928	.048134135	0	0	.039146432	.113764731	.125881405	.057725699	.058898865	.036466666	.118293631	.032626121	.080826322	.112044059	.01357034	.068542563	.18970901	.142979608	.074508467	.014193312	.026032561	.049047966	.029871201	.100926737	.028166062	.050004983	.02792756	.054422322	0	.049511821	.024169286	.056337416	.039428041	.041492953	.058203121	.030968413	.036733346	.036710425	.02617008	.0283145	.034460734	.0444613	.033599569	.030416372	.026434046	.067065129	.033013197
TAUROLITHOCHOLATE	0	0	0	0	0	0	0	0	0	0	.001400012	0	0	0	0	0	0	0	.006380264	.000149129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.002718512	0	0	0	0	0	.006317468	.002005603	0	.004110935	0	0	0	.002334446	.002792395	.000734051	.001263481	0	.000386431	0	0	.000799176	0	0	0	0	.023064693	.0000207712	.001041756	0	0	.000173	0	0	0	.002318705	0	0	.002544833	0	0	0	0	.004079071	.001505723	.00187864	.0000782278	0	0	.00464742	0
HYODEOXYCHOLIC ACID	.017232387	.006846529	.027503121	.01414755	.012405133	.003793206	.006479511	.013545294	.005201794	.025894761	.014735432	.009690883	.013491246	.034412132	.013494737	.042675729	.021614314	.005683559	.00960393	0	.046609491	.010876769	.01992334	.036720031	.799764389	.005248344	.408779709	.037126742	1.526496325	.023514474	.012617955	1.960839567	3.382744599	3.230998814	.044954862	1.905564015	.842881008	.029338287	0	.06028207	.116086077	.014891906	0	.441738973	7.54658616	.861405461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.308334545	0	0	0	0	1.06035525	.902737717	.52813672	1.23349868	0	0	0	0
OMEGA-MURICHOLIC ACID	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.479695292	0	3.733504032	5.969640169	6.663474144	0	.278532711	3.545386507	.373482329	3.55778713	0	.199975158	8.497272368	0	9.121881976	0	.149868525	.739198299	9.019027638	0	11.15901901	1.094975877	.546339948	0	0	0	0	1.041333926	6.359833743	1.500696237	0	0	0	0	.022895521	0	.139161851	0	0	.190463996	.894253049	0	5.612120222	0	3.745757732	.1097156	0	.945331928	2.518090972	1.241851371	4.95018254	9.323615372	10.0160184	12.07667609	.117496113	8.694421184	2.476206916	7.641228896	8.022294865	5.277756436	12.52123062	0	0	0	0
ALPHA-MURICHOLIC ACID	.016764593	.009001809	.011260849	.002254848	.024489129	.013545602	.006532556	.010832912	.022390547	.016238344	.03030145	.019162745	.040214725	.222000998	.014825891	.114158134	.030584301	.221915706	.209116565	.008914595	.020681654	.014992585	.016900334	.040901716	5.774576728	.016901673	1.118810123	4.182033578	10.9241779	.040145115	1.045904654	11.34999865	3.731451314	3.864375458	.045451503	1.03376666	4.503135669	.073797617	10.08105801	.12154254	.457593963	.262381357	5.663021723	.709854323	5.082079606	1.338678896	2.629176864	.026303174	.048387409	.021899778	.032050323	.542666901	.998023513	.259763506	.104391123	.237670048	.028704016	.128310133	.043627192	.059868395	.215282549	.004367833	.032825426	.620450133	.862846653	.495291874	.820078315	.437134029	.794750893	.08061509	.218482026	.307482647	.650174281	1.212447344	.987815056	7.480226911	3.60437415	3.008652806	1.990402246	6.306291428	.480502799	2.754371846	1.075620998	.209152775	.908234272	.012560393	.010241496	.017450331	.01571018
BETA-MURICHOLIC ACID	.009791723	.003579353	.016746688	.005695014	.007844144	.011009674	.005997848	.007134748	.005153334	.008269869	.00518087	.025840069	.265045116	2.179777082	.039809026	.608847871	.182580242	1.376741781	1.406398955	.014090093	.142043088	.020294043	.054583094	.245280675	30.348132	.090060016	9.855772894	21.7669159	47.05277741	.706155276	8.123192296	63.90357378	22.34872747	23.4614969	.292559512	9.115301753	18.73241885	.303693956	21.82890152	1.532925557	5.41150667	1.822607596	18.20344698	5.910020935	12.06647409	6.874866362	13.67723438	.01608441	.013936967	.017955572	.013880301	10.58190453	20.89569253	6.075340743	2.034285607	3.551167251	.495727014	.548279286	.08143471	.119701865	1.619865469	.013441096	.042753143	4.42411869	9.713543279	1.132954184	7.707858232	3.02667098	6.604215867	.806692865	1.092371444	2.621729831	8.769565179	10.04266305	10.17362021	22.8340757	11.14715211	14.75635674	11.64568438	25.31357027	7.014642338	7.894463405	2.246723691	1.019870963	2.236838887	.006838887	.005372728	.008316739	.008613465
TAUROCHOLIC ACID	.436813024	.981518831	.839567027	.329732997	6.422987893	.964233642	1.88641861	.710375639	1.388217127	1.215166168	.679717435	5.142742081	1.424034806	.570356899	.536711768	10.56748669	.076963469	29.10301661	386.1188638	1.157553262	1.164991103	.682116572	.243163177	.098408662	.544854497	9.359385504	.151607659	.413467933	1.52635074	.232264329	.205799523	1.433243628	.625480717	.265451232	.233447303	.134129133	.225321946	5.034253231	.736152627	.136831139	.297904797	.204388735	.165340964	1.013465114	.201071936	1.244800355	.12181366	2.429747489	4.583358615	1.464905128	2.104988702	.114193327	.184341837	.114918616	2.450684013	6.047569511	.568147324	3.740898822	27.49791143	17.17799759	17.44637575	.073978863	1.027237358	.199957393	.090273996	1.35863919	.121868165	.412693333	.082589328	.422444321	.322147985	.155525756	.069819608	.22683459	.095525866	.182578178	.093634278	.139626311	.091216548	.176178977	.082264676	.176331527	.24982033	.08563031	.099974301	.612762522	.406670999	4.332582154	.492569334
HYOCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	.069622171	0	0	0	.052200682	0	0	0	.182343694	0	.001467049	0	.006802038	0	0	.009655732	0	0	0	0	0	0	.021219113	0	0	0	0	0	0	0	.017469467	0	0	0	0	0	.025088211	.138914704	.098017873	0	0	.1237965	0	.090104255	.198062183	.03038122	.18215449	0	0	0	0
TAUROURSODEOXYCHOLIC ACID	.022667981	.019888073	.046378417	.021072872	.119170191	.023171237	.043563353	.037893947	.049332246	.055935189	.038539928	.086816656	.079329494	.07212219	.038835158	.247801999	.024004009	.671702838	10.93578583	.057210194	.084628271	.04689678	.062363016	.020422679	.188313559	.092954207	.01935546	.037585178	.075578947	.031194185	.023071215	.073929733	.638224497	.082741595	.159950369	.079999847	.049334765	.149387932	.188403237	.037214928	.023905347	.04221965	.054249981	.200633685	.550760606	1.030621184	.228109377	.070558478	.109602511	.047333221	.049892266	.027548782	.034740222	.02681167	.091166672	.154499527	.021690458	.157733807	.582097145	.319617981	.307606449	.011649898	.032247439	.049515108	.028786528	.131108117	.029194273	.093690431	.024722537	.056753165	.121274451	.042505873	.039928468	.063369077	.043124528	.034674974	.046264109	.053443046	.053998239	.045910478	.027094481	.063068433	.035864388	.042904836	.031223061	.021177932	.01774876	.058840536	.024838362
LITHOCHOLIC ACID	0	0	0	0	0	0	0	0	0	0	.245593817	0	0	0	0	.25283714	0	.089477851	0	.268903883	0	0	0	0	0	0	.383466086	0	0	.274859986	.38815674	.307431952	.596442055	.691754891	0	0	.20904389	0	2.002153595	0	.212278494	0	0	0	7.354409595	.182320285	.236678097	0	0	.268666064	0	1.017136017	2.507331222	.783908474	1.255152175	.124369582	0	.211039564	0	.064020852	0	0	.061413137	.220925204	0	0	.201009771	0	.220539953	.149079866	.336241457	.332569683	.226753952	.271354335	.507036269	.395609625	2.209038551	.319383619	2.493868646	.406676143	.274387676	4.725147601	3.292622393	.783751957	1.179118494	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
CHENODEOXYCHOLIC ACID				10133				
GLYCOCHOLIC ACID				10140				
TAURO-ALPHA-MURICHOLIC ACID				101657566				
TAUROHYOCHOLATE				11954195				
GLYCOURSODEOXYCHOLIC ACID				12310288				
GLYCOCHENODEOXYCHOLIC ACID				12544				
AM022340				13955647				
TAURO-BETA-MURICHOLIC ACID				21124703				
CHOLIC ACID				221493				
DEOXYCHOLIC ACID				222528				
TAURODEOXYCHOLATE				2733768				
GLYCODEOXYCHOLATE				3035026				
URSODEOXYCHOLIC ACID				31401				
TAUROCHENODEOXYCHOLIC ACID				387316				
TAUROLITHOCHOLATE				439763				
HYODEOXYCHOLIC ACID				5283820				
OMEGA-MURICHOLIC ACID				5283851				
ALPHA-MURICHOLIC ACID				5283852				
BETA-MURICHOLIC ACID				5283853				
TAUROCHOLIC ACID				6675				
HYOCHOLIC ACID				92805				
TAUROURSODEOXYCHOLIC ACID				9848818				
LITHOCHOLIC ACID				9903				
METABOLITES_END
